N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-(pyridin-3-yl)pyrimidin-4-amine

• ChemBase ID: 577393
• Molecular Formular: C16H20N4O
• Molecular Mass: 284.3562
• Monoisotopic Mass: 284.16371128
• SMILES: n1c(nc(cc1N(CC1(COC1)C)C)C)c1cnccc1
• Canonical SMILES: Cc1cc(nc(n1)c1cccnc1)N(CC1(C)COC1)C
• InChI: InChI=1S/C16H20N4O/c1-12-7-14(20(3)9-16(2)10-21-11-16)19-15(18-12)13-5-4-6-17-8-13/h4-8H,9-11H2,1-3H3
• InChIKey: OIPSNWMTHLWZFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-(pyridin-3-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-(pyridin-3-yl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9405683
• LogD (pH = 7.4): 2.4108832
• Log P: 2.4218707
• Molar Refractivity: 93.4917 cm^3
• Polarizability: 31.830364 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.47
• LOG S: -2.53
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4